(-)-Noroxymorphone

HCID 5497189
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기본 정보

CAS
33522-95-1
표준 SMILES
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3)[C@H]1O5
InChIKey
HLMSIZPQBSYUNL-IPOQPSJVSA-N
분자식
C16H17NO4
평균 분자량
287.31 g/mol
단동위원소 질량
287.11575802

이름 및 식별자

우선 이름
(-)-Noroxymorphone
IUPAC
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
영어명
7,8-Dihydro-14-hydroxy- normorphinone
분자식
C16H17NO4
분자량
287.32

이름 및 동의어

Noroxymorphone33522-95-1(-)-Noroxymorphone7,8-Dihydro-14-hydroxynormorphinone14-HydroxydihydronormorphinoneEN 31699NZ7111A9ODTXSID80955145EN-3169Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-, (5alpha)-RefChem:166668DTXCID801528190
이름 더 보기
Naltrexone EP Impurity BNoroxymorphone-d4NoroxyMorphone HClNaloxone HCl ImpurityNaltrexone EP Impuirty BNaltrexone Impurity 6 Monomer
251-561-5Nor Oxymorphone(5alpha)-4,5-Epoxy-3,14-dihydroxymorphinan-6-one(4R,4aS,7aR,12bS)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-oneNor Oxymorphone (1.0mg/ml in DMSO)Naloxone EP Impurity AUNII-9NZ7111A9Odesethenyl_naloxone

데이터베이스 식별자

CAS
33522-95-1
PubChem CID
5497189
DTXSID
DTXSID80955145
ChEBI
CHEBI:187724
UNII
9NZ7111A9O
EC Number
251-561-5
Nikkaji
J291.131K

물성

구조 계산 물성

XLogP
0.4
극성 표면적
78.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
21

실험 및 물리화학적 성질

Collision Cross Section161 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
265 °C · >265°C (dec.)
끓는 점
552.1 · 552.1±50.0 °C(Predicted)
밀도
1.54 · 1.54±0.1 g/cm3(Predicted)
인화점
22 ℃ · 22℃
저장 조건
-20 °C · Controlled Substance, -20°C Freezer
용해도
20 mg/ml; · DMF: 20 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 10 mg/ml

화학적 성질

Off-White to Light Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 52% (79 of 152) of all reports.

Danger

H301 (27%): Toxic if swallowed [Danger Acute toxicity, oral]；H302+H332 (11.2%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (13.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (27%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H317 (39.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H332 (38.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (39.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 79 of 152 reports by companies.；There are 9 notifications provided by 73 of 152 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

DEA schedule II controlled substance

Status: Active Update: 16-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19777

Hazard Classes and CategoriesAcute Tox. 3 (27%)；Acute Tox. 4 (13.8%)；Acute Tox. 4 (27%)；Skin Sens. 1 (39.5%)；Acute Tox. 4 (38.8%)；Resp. Sens. 1 (39.5%)

규제 정보

Regulatory Information · 2건

DEA schedule II controlled substance

Status: Active Update: 16-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19777

안전 데이터

wgk
1
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
risk_code
10-23/24/25-39/23/24/25-11
hazard_code
T,F
safety_code
36/37-45-16-7
DEA Controlled Substances
CSCN: 9668CSA SCH: Schedule IINARC: Yes

화학 및 산업

약리 정보

Tissue LocationsKidney；Liver
Cellular LocationsCytoplasm
응용 분야 · 2건

개요Noroxymorphone (Item No. 15903) is an analytical reference standard that is structurally categorized as an opioid. It is an active metabolite of oxycodone , noroxycodone (Item Nos. 15902 | 20407), and oxymorphone that can be detected in plasma and urine. Noroxymorphone is also an immediate precursor in the synthesis of several opioids, including naltrexone (Item Nos. 15520 | ISO60192) and naloxone (Item Nos. 15594 | ISO60191). Noroxymorphone is regulated as a Schedule II compound in the United States. This product is intended for research and forensic applications.

용도A metabolite of Naloxone and Naltrexone

상·하류 제품 정보

공급사71 곳

成都初辛医药科技有限公司18782972721 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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